Information card for entry 7119200

Structure parameters

• Common name: N-acetyoxyindole
• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: c12c(cccc1)CC(=O)N2C(=O)C
• Title of publication: Synthesis of oxindole from acetanilide via Ir(iii)-catalyzed C-H carbenoid functionalization.
• Authors of publication: Patel, Pitambar; Borah, Gongutri
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 443 - 446
• a: 7.4444 ± 0.0008 Å
• b: 8.2789 ± 0.0009 Å
• c: 13.8475 ± 0.0015 Å
• α: 90°
• β: 93.494 ± 0.004°
• γ: 90°
• Cell volume: 851.86 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No